通过使用图形表示学习来识别治疗多囊卵巢综合征的营养药物标
Simon Hanassab1,2,3, Joshua Southern1,3, Ayomide V Olabode2
1Department of Computing, Imperial College London, London, UK.
npj women's health
|December 4, 2025
概括
机器学习在绿茶和杏仁中发现了新的化合物,这些化合物可能有助于治疗多囊性卵巢综合征 (PCOS). 这项研究为PCOS的精密营养和药物重新使用提供了新的途径.
科学领域:
- 生物化学 生物化学
- 遗传学 遗传学 是一个
- 计算生物学 计算生物学
背景情况:
- 多囊卵巢综合征 (PCOS) 是一种复杂的内分泌疾病,具有遗传和多因素的起源.
- 目前的PCOS治疗方法通常可以控制症状,但缺乏针对潜在病理生理学的有针对性的方法.
- 识别新的分子标对于推进PCOS管理至关重要.
研究的目的:
- 利用机器学习 (ML) 来识别与PCOS相关的基因和途径相互作用的食品和药物中的生物活性分子.
- 通过计算分析发现多囊卵巢综合征 (PCOS) 的新型治疗点.
- 探索精密营养和药物重新利用在PCOS治疗中的潜力.
主要方法:
- 使用机器学习算法分析大型开源数据集.
- 网络传播算法用于识别与13个PCOS相关基因相互作用的生物活性分子.
- 使用已知的药理学药物向PCOS途径验证ML管道.
主要成果:
- 标识了甲-3-酸盐 (绿茶) 和24-甲基环-3- (杏仁) 作为与PCOS途径相互作用的新生物活性分子.
- 绿茶和杏仁显示出与PCOS相关的潜在抗雄激素和抗炎性质.
- ML管道验证证实了与性腺激素释放激素受体调节器的显著相互作用,与已知的PCOS病理生理学保持一致.
结论:
- 机器学习有效地确定了多囊性卵巢综合征 (PCOS) 的新分子标.
- 绿茶和杏仁含有化合物,对PCOS有潜在的治疗益处.
- 这些发现支持进一步研究精密营养和用于PCOS治疗的药物再利用.
相关概念视频
Targets for Drug Action: Overview
10.0K
Drugs target macromolecules to modify ongoing cellular processes. Primary drug targets include receptors, ion channels, transporters, and enzymes.
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
Receptors are either membrane-spanning or intracellular proteins, which upon binding a ligand, get activated and transmit the signal downstream to elicit a response. Drugs bind receptors, either mimicking the action of endogenous ligands or blocking the receptor activity to bring about a modified response. Nearly 35% of approved drugs target the G...
10.0K
Protein Networks
4.5K
An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
4.5K
Hormonal Control of the Ovarian Cycle
6.3K
The ovarian cycle is meticulously regulated by the hypothalamic-pituitary-gonadal axis. This cycle orchestrates the release of a mature oocyte, essential for reproduction.
Before puberty, the hypothalamus releases GnRH in a low frequency, low amplitude pulsatile manner. This along with the immature hypothalamic-pituitary-gonadal axis activity, results in low estrogen levels and the absence of a fully functional ovarian cycle. At puberty, GnRH secretion increases in both frequency and...
Before puberty, the hypothalamus releases GnRH in a low frequency, low amplitude pulsatile manner. This along with the immature hypothalamic-pituitary-gonadal axis activity, results in low estrogen levels and the absence of a fully functional ovarian cycle. At puberty, GnRH secretion increases in both frequency and...
6.3K
Model Approaches for Pharmacokinetic Data: Physiological Models
236
Physiological models in pharmacokinetics are instrumental in understanding the distribution and elimination of drugs within the body. These models describe the drug concentration within target organs, influenced by factors such as drug uptake, tissue volume, and blood flow. Drug uptake is governed by the partition coefficient, which signifies the drug concentration ratio in tissue to that in the blood. The blood flow rate to a specific tissue is expressed as Qt, and the rate of change in tissue...
236
Classification of Neurotransmitters
4.9K
Neurotransmitters play a crucial role in the communication between neurons in the autonomic nervous system. Neurons in the autonomic nervous system can be cholinergic or adrenergic depending on the neurotransmitters synthesized. Cholinergic neurons use acetylcholine as their primary neurotransmitter. This includes all the preganglionic fibers of the sympathetic and pre- and postganglionic fibers of the parasympathetic nervous systems. In addition, neurons of the somatic nervous system also use...
4.9K
G Protein-coupled Receptors
16.3K
G Protein-Coupled Receptors or GPCRs are membrane-bound receptors that transiently associate with heterotrimeric G proteins and induce an appropriate response to sensory stimuli such as light, odors, hormones, cytokines, or neurotransmitters.
GPCRs are also called heptahelical, 7TM, or serpentine receptors, and consist of seven (H1-H7) transmembrane alpha-helices that span the bilayer to form a cylindrical core. The transmembrane helices are connected by three extracellular loops and three...
GPCRs are also called heptahelical, 7TM, or serpentine receptors, and consist of seven (H1-H7) transmembrane alpha-helices that span the bilayer to form a cylindrical core. The transmembrane helices are connected by three extracellular loops and three...
16.3K


